tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium

C253H295F3I2N18O55SY — CID 167693025

IUPACtert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium
SMILESC.C.CC(C)(C)OC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)OC(=O)CCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)n1ccnc1.COC(=O)C(N)CCC(=O)OC(C)(C)C.COS(=O)(=O)C(F)(F)F.N#C[IH]C(=O)OCC1c2ccccc2-c2ccccc21.O=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.O=C(NNc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.[2H]CI.[Y]
InChIInChI=1S/C49H60N4O10.C36H49N3O9.C28H23NO4.C25H32N2O4.C25H28O6.C23H19NO4.C22H18N2O4.C16H12INO2.C14H21N3O5.C10H19NO4.C2H3F3O3S.CH3I.2CH4.Y/c1-48(2,3)62-42(54)26-25-40(44(56)60-7)52-46(58)51-39(45(57)63-49(4,5)6)22-14-15-27-50-43(55)41(29-31-23-24-32-16-8-9-17-33(32)28-31)53-47(59)61-30-38-36-20-12-10-18-34(36)35-19-11-13-21-37(35)38;1-35(2,3)47-30(40)20-19-29(31(41)45-7)39-33(43)38-28(32(42)48-36(4,5)6)18-12-13-21-37-34(44)46-22-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;30-27(31)26(16-18-13-14-19-7-1-2-8-20(19)15-18)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25;1-25(2,3)31-23(28)22(26)14-8-9-15-27-24(29)30-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;1-25(2,3)31-22(26)13-12-16(24(28)29)14-23(27)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;25-21(26)14-9-11-15(12-10-14)23-24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;18-10-17-16(19)20-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-14(2,3)22-11(18)6-5-10(12(19)21-4)16-13(20)17-8-7-15-9-17;1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;1-8-9(6,7)2(3,4)5;1-2;;;/h8-13,16-21,23-24,28,38-41H,14-15,22,25-27,29-30H2,1-7H3,(H,50,55)(H,53,59)(H2,51,52,58);8-11,14-17,27-29H,12-13,18-22H2,1-7H3,(H,37,44)(H2,38,39,43);1-15,25-26H,16-17H2,(H,29,32)(H,30,31);4-7,10-13,21-22H,8-9,14-16,26H2,1-3H3,(H,27,29);4-11,16,21H,12-15H2,1-3H3,(H,28,29);1-12,21H,13-14H2,(H,24,27)(H,25,26);1-12,20,23H,13H2,(H,24,27)(H,25,26);1-8,15,17H,9H2;7-10H,5-6H2,1-4H3,(H,16,20);7H,5-6,11H2,1-4H3;1H3;1H3;2*1H4;/t;;26-;;;;;;;;;;;;/m..0............/s1/i;;;;;;;;;;;1D;;;
InChIKeyHFCPFBGYKWKNIW-PLOTZUNSSA-N
MW4901.00 g/mol
LogP44.22
Rot. Bonds77

About tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium

tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium (PubChem CID 167693025) has the molecular formula C253H295F3I2N18O55SY and a molecular weight of 4901.00 g/mol. Its IUPAC name is tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium.

Molecular Properties

Compound Nametert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium
PubChem CID167693025
Molecular FormulaC253H295F3I2N18O55SY
Molecular Weight4901.00 g/mol
Exact Mass4897.77
IUPAC Nametert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium
SMILESC.C.CC(C)(C)OC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)OC(=O)CCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)n1ccnc1.COC(=O)C(N)CCC(=O)OC(C)(C)C.COS(=O)(=O)C(F)(F)F.N#C[IH]C(=O)OCC1c2ccccc2-c2ccccc21.O=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.O=C(NNc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.[2H]CI.[Y]
InChIInChI=1S/C49H60N4O10.C36H49N3O9.C28H23NO4.C25H32N2O4.C25H28O6.C23H19NO4.C22H18N2O4.C16H12INO2.C14H21N3O5.C10H19NO4.C2H3F3O3S.CH3I.2CH4.Y/c1-48(2,3)62-42(54)26-25-40(44(56)60-7)52-46(58)51-39(45(57)63-49(4,5)6)22-14-15-27-50-43(55)41(29-31-23-24-32-16-8-9-17-33(32)28-31)53-47(59)61-30-38-36-20-12-10-18-34(36)35-19-11-13-21-37(35)38;1-35(2,3)47-30(40)20-19-29(31(41)45-7)39-33(43)38-28(32(42)48-36(4,5)6)18-12-13-21-37-34(44)46-22-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;30-27(31)26(16-18-13-14-19-7-1-2-8-20(19)15-18)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25;1-25(2,3)31-23(28)22(26)14-8-9-15-27-24(29)30-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;1-25(2,3)31-22(26)13-12-16(24(28)29)14-23(27)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;25-21(26)14-9-11-15(12-10-14)23-24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;18-10-17-16(19)20-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-14(2,3)22-11(18)6-5-10(12(19)21-4)16-13(20)17-8-7-15-9-17;1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;1-8-9(6,7)2(3,4)5;1-2;;;/h8-13,16-21,23-24,28,38-41H,14-15,22,25-27,29-30H2,1-7H3,(H,50,55)(H,53,59)(H2,51,52,58);8-11,14-17,27-29H,12-13,18-22H2,1-7H3,(H,37,44)(H2,38,39,43);1-15,25-26H,16-17H2,(H,29,32)(H,30,31);4-7,10-13,21-22H,8-9,14-16,26H2,1-3H3,(H,27,29);4-11,16,21H,12-15H2,1-3H3,(H,28,29);1-12,21H,13-14H2,(H,24,27)(H,25,26);1-12,20,23H,13H2,(H,24,27)(H,25,26);1-8,15,17H,9H2;7-10H,5-6H2,1-4H3,(H,16,20);7H,5-6,11H2,1-4H3;1H3;1H3;2*1H4;/t;;26-;;;;;;;;;;;;/m..0............/s1/i;;;;;;;;;;;1D;;;
InChIKeyHFCPFBGYKWKNIW-PLOTZUNSSA-N
XLogP44.22
TPSA1036.89 Ų
H-Bond Donors19
H-Bond Acceptors57
Rotatable Bonds77
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004901.00
LogP ≤ 544.22
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1057

Analyze tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium?
The IUPAC name of tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium (CID 167693025) is tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium.
What is the SMILES notation for tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium?
The canonical SMILES for tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium is C.C.CC(C)(C)OC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)OC(=O)CCC(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)n1ccnc1.COC(=O)C(N)CCC(=O)OC(C)(C)C.COS(=O)(=O)C(F)(F)F.N#C[IH]C(=O)OCC1c2ccccc2-c2ccccc21.O=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.O=C(NNc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.[2H]CI.[Y].
What is the InChIKey of tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium?
The InChIKey is HFCPFBGYKWKNIW-PLOTZUNSSA-N. The full InChI is InChI=1S/C49H60N4O10.C36H49N3O9.C28H23NO4.C25H32N2O4.C25H28O6.C23H19NO4.C22H18N2O4.C16H12INO2.C14H21N3O5.C10H19NO4.C2H3F3O3S.CH3I.2CH4.Y/c1-48(2,3)62-42(54)26-25-40(44(56)60-7)52-46(58)51-39(45(57)63-49(4,5)6)22-14-15-27-50-43(55)41(29-31-23-24-32-16-8-9-17-33(32)28-31)53-47(59)61-30-38-36-20-12-10-18-34(36)35-19-11-13-21-37(35)38;1-35(2,3)47-30(40)20-19-29(31(41)45-7)39-33(43)38-28(32(42)48-36(4,5)6)18-12-13-21-37-34(44)46-22-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;30-27(31)26(16-18-13-14-19-7-1-2-8-20(19)15-18)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25;1-25(2,3)31-23(28)22(26)14-8-9-15-27-24(29)30-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;1-25(2,3)31-22(26)13-12-16(24(28)29)14-23(27)30-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;25-21(26)14-9-11-15(12-10-14)23-24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;18-10-17-16(19)20-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-14(2,3)22-11(18)6-5-10(12(19)21-4)16-13(20)17-8-7-15-9-17;1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;1-8-9(6,7)2(3,4)5;1-2;;;/h8-13,16-21,23-24,28,38-41H,14-15,22,25-27,29-30H2,1-7H3,(H,50,55)(H,53,59)(H2,51,52,58);8-11,14-17,27-29H,12-13,18-22H2,1-7H3,(H,37,44)(H2,38,39,43);1-15,25-26H,16-17H2,(H,29,32)(H,30,31);4-7,10-13,21-22H,8-9,14-16,26H2,1-3H3,(H,27,29);4-11,16,21H,12-15H2,1-3H3,(H,28,29);1-12,21H,13-14H2,(H,24,27)(H,25,26);1-12,20,23H,13H2,(H,24,27)(H,25,26);1-8,15,17H,9H2;7-10H,5-6H2,1-4H3,(H,16,20);7H,5-6,11H2,1-4H3;1H3;1H3;2*1H4;/t;;26-;;;;;;;;;;;;/m..0............/s1/i;;;;;;;;;;;1D;;;.
What are the key properties of tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium?
tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium has a molecular weight of 4901.00 g/mol, XLogP of 44.22, 77 rotatable bonds, 19 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;5-O-tert-butyl 1-O-methyl 2-aminopentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-[[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate;5-O-tert-butyl 1-O-methyl 2-(imidazole-1-carbonylamino)pentanedioate;deuterio(iodo)methane;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid;4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]benzoic acid;2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;9H-fluoren-9-ylmethyl (cyano-λ3-iodanyl)formate;methane;methyl trifluoromethanesulfonate;yttrium is sourced from PubChem (CID 167693025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).